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<PP_INFO>
Generated using unknown code
Author: X. Gonze et al (Phys. Rev. B 44, 8503 (1991))
Info: automatically converted from PWSCF format
1 The Pseudo was generated with a Scalar-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
4S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000
4P 0 1 3.00 0.00000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
As Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA PZ NOGX NOGC PZ Exchange-Correlation functional
5.00000000000 Z valence
0.00000000000 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
1 Max angular momentum component
525 Number of points in mesh
2 2 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
4S 0 2.00
4P 1 3.00
</PP_HEADER>
<PP_MESH>
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<PP_NONLOCAL>
<PP_BETA>
1 0 Beta L
433
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</PP_BETA>
<PP_BETA>
2 1 Beta L
433
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1.20567500392E-02 1.26665091860E-02 1.33066421938E-02 1.39786117164E-02
1.46839457471E-02 1.54242393463E-02 1.62011571123E-02 1.70164351591E-02
1.78718839768E-02 1.87693897326E-02 1.97109167791E-02 2.06985103362E-02
2.17342966872E-02 2.28204870615E-02 2.39593781237E-02 2.51533530315E-02
2.64048820018E-02 2.77165280507E-02 2.90909419431E-02 3.05308582516E-02
3.20391101378E-02 3.36186152967E-02 3.52723745828E-02 3.70034809836E-02
3.88151016189E-02 4.07104836071E-02 4.26929502362E-02 4.47658874343E-02
4.69327378653E-02 4.91969964970E-02 5.15621958825E-02 5.40318944677E-02
5.66096599284E-02 5.92990530529E-02 6.21036080010E-02 6.50268067791E-02
6.80720551812E-02 7.12426503394E-02 7.45417489595E-02 7.79723209710E-02
8.15371176715E-02 8.52386079617E-02 8.90789335871E-02 9.30598372028E-02
9.71825991436E-02 1.01447957036E-01 1.05856015062E-01 1.10406147792E-01
1.15096899430E-01 1.19925855643E-01 1.24889517025E-01 1.29983151398E-01
1.35200639763E-01 1.40534297487E-01 1.45974687257E-01 1.51510407502E-01
1.57127868371E-01 1.62811074990E-01 1.68541292558E-01 1.74296848191E-01
1.80052805079E-01 1.85780605465E-01 1.91447844566E-01 1.97017782456E-01
2.02449153372E-01 2.07695708479E-01 2.12705948414E-01 2.17422775957E-01
2.21783272168E-01 2.25718420461E-01 2.29153040950E-01 2.32005782239E-01
2.34189191623E-01 2.35610145782E-01 2.36170386339E-01 2.35767387462E-01
2.34295632573E-01 2.31648222770E-01 2.27719062863E-01 2.22405498793E-01
2.15611566635E-01 2.07251863744E-01 1.97255979703E-01 1.85573519048E-01
1.72179569105E-01 1.57080518469E-01 1.40319931113E-01 1.21984272483E-01
1.02208025737E-01 8.11778170059E-02 5.91350067407E-02 3.63762319935E-02
1.32513475551E-02 -9.84170447029E-03 -3.24654658873E-02 -5.41551633845E-02
-7.44344794093E-02 -9.28345158352E-02 -1.08915252453E-01 -1.22288376170E-01
-1.32640092062E-01 -1.39752153292E-01 -1.43519306360E-01 -1.43961231986E-01
-1.41227384726E-01 -1.35593483350E-01 -1.27449123626E-01 -1.17276752712E-01
-1.05623193681E-01 -9.30658189100E-02 -8.01762448276E-02 -6.74848738198E-02
-5.54497771446E-02 -4.44329668637E-02 -3.46863553048E-02 -2.63484336845E-02
-1.94513690003E-02 -1.39368456686E-02 -9.67791559732E-03 -6.50356256626E-03
-4.22267297150E-03 -2.64466038866E-03 -1.59493603042E-03 -9.24519719812E-04
-5.14115261640E-04 -2.73722229879E-04 -1.39238535360E-04 -6.75246404286E-05
-3.11479668722E-05 -1.36341630545E-05 -5.64909671337E-06 -2.20980093084E-06
-8.13901733206E-07 -2.81451283064E-07 -9.11084524947E-08 -2.75227091374E-08
-7.73377661197E-09 -2.01458451859E-09 -4.84762730203E-10 -1.07351251832E-10
-2.17932731366E-11 -4.03917347902E-12 -6.80595263525E-13 -1.03777634219E-13
-1.43211784653E-14 -1.79014663537E-15 -1.89101001524E-16 -3.50709927766E-17
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
</PP_BETA>
<PP_DIJ>
2 Number of nonzero Dij
1 1 2.30501763003E+01
2 2 -4.38106307862E+01
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
*S 0 2.00 Wavefunction
4.88586240000E-05 5.00954860000E-05 5.13636590000E-05 5.26639360000E-05
5.39971310000E-05 5.53640750000E-05 5.67656230000E-05 5.82026520000E-05
5.96760590000E-05 6.11867660000E-05 6.27357170000E-05 6.43238790000E-05
6.59522460000E-05 6.76218360000E-05 6.93336910000E-05 7.10888820000E-05
7.28885070000E-05 7.47336880000E-05 7.66255810000E-05 7.85653680000E-05
8.05542600000E-05 8.25935010000E-05 8.46843670000E-05 8.68281620000E-05
8.90262290000E-05 9.12799390000E-05 9.35907030000E-05 9.59599640000E-05
9.83892030000E-05 1.00879940000E-04 1.03433730000E-04 1.06052170000E-04
1.08736890000E-04 1.11489580000E-04 1.14311950000E-04 1.17205780000E-04
1.20172860000E-04 1.23215050000E-04 1.26334260000E-04 1.29532430000E-04
1.32811560000E-04 1.36173700000E-04 1.39620960000E-04 1.43155480000E-04
1.46779490000E-04 1.50495230000E-04 1.54305040000E-04 1.58211300000E-04
1.62216440000E-04 1.66322970000E-04 1.70533460000E-04 1.74850550000E-04
1.79276920000E-04 1.83815340000E-04 1.88468660000E-04 1.93239770000E-04
1.98131670000E-04 2.03147410000E-04 2.08290120000E-04 2.13563020000E-04
2.18969400000E-04 2.24512650000E-04 2.30196230000E-04 2.36023700000E-04
2.41998680000E-04 2.48124920000E-04 2.54406260000E-04 2.60846600000E-04
2.67449990000E-04 2.74220540000E-04 2.81162500000E-04 2.88280190000E-04
2.95578070000E-04 3.03060690000E-04 3.10732750000E-04 3.18599020000E-04
3.26664440000E-04 3.34934030000E-04 3.43412980000E-04 3.52106570000E-04
3.61020250000E-04 3.70159580000E-04 3.79530280000E-04 3.89138200000E-04
3.98989360000E-04 4.09089910000E-04 4.19446150000E-04 4.30064580000E-04
4.40951820000E-04 4.52114680000E-04 4.63560140000E-04 4.75295340000E-04
4.87327640000E-04 4.99664550000E-04 5.12313780000E-04 5.25283240000E-04
5.38581030000E-04 5.52215480000E-04 5.66195100000E-04 5.80528630000E-04
5.95225040000E-04 6.10293500000E-04 6.25743450000E-04 6.41584540000E-04
6.57826670000E-04 6.74480000000E-04 6.91554940000E-04 7.09062160000E-04
7.27012620000E-04 7.45417520000E-04 7.64288390000E-04 7.83637020000E-04
8.03475510000E-04 8.23816260000E-04 8.44671990000E-04 8.66055740000E-04
8.87980890000E-04 9.10461140000E-04 9.33510550000E-04 9.57143530000E-04
9.81374870000E-04 1.00621970000E-03 1.03169360000E-03 1.05781250000E-03
1.08459260000E-03 1.11205090000E-03 1.14020440000E-03 1.16907070000E-03
1.19866790000E-03 1.22901460000E-03 1.26012960000E-03 1.29203250000E-03
1.32474330000E-03 1.35828230000E-03 1.39267070000E-03 1.42792980000E-03
1.46408180000E-03 1.50114920000E-03 1.53915540000E-03 1.57812400000E-03
1.61807950000E-03 1.65904680000E-03 1.70105170000E-03 1.74412040000E-03
1.78827980000E-03 1.83355770000E-03 1.87998240000E-03 1.92758300000E-03
1.97638930000E-03 2.02643180000E-03 2.07774190000E-03 2.13035180000E-03
2.18429440000E-03 2.23960350000E-03 2.29631390000E-03 2.35446100000E-03
2.41408130000E-03 2.47521220000E-03 2.53789210000E-03 2.60216030000E-03
2.66805710000E-03 2.73562380000E-03 2.80490290000E-03 2.87593780000E-03
2.94877330000E-03 3.02345490000E-03 3.10002980000E-03 3.17854590000E-03
3.25905260000E-03 3.34160070000E-03 3.42624190000E-03 3.51302950000E-03
3.60201830000E-03 3.69326420000E-03 3.78682470000E-03 3.88275870000E-03
3.98112680000E-03 4.08199090000E-03 4.18541490000E-03 4.29146380000E-03
4.40020470000E-03 4.51170640000E-03 4.62603930000E-03 4.74327580000E-03
4.86349020000E-03 4.98675840000E-03 5.11315880000E-03 5.24277150000E-03
5.37567880000E-03 5.51196520000E-03 5.65171720000E-03 5.79502390000E-03
5.94197660000E-03 6.09266890000E-03 6.24719710000E-03 6.40566000000E-03
6.56815880000E-03 6.73479760000E-03 6.90568340000E-03 7.08092580000E-03
7.26063760000E-03 7.44493430000E-03 7.63393500000E-03 7.82776160000E-03
8.02653960000E-03 8.23039780000E-03 8.43946840000E-03 8.65388760000E-03
8.87379500000E-03 9.09933430000E-03 9.33065310000E-03 9.56790320000E-03
9.81124060000E-03 1.00608260000E-02 1.03168230000E-02 1.05794040000E-02
1.08487410000E-02 1.11250150000E-02 1.14084100000E-02 1.16991170000E-02
1.19973310000E-02 1.23032540000E-02 1.26170930000E-02 1.29390630000E-02
1.32693840000E-02 1.36082830000E-02 1.39559930000E-02 1.43127550000E-02
1.46788190000E-02 1.50544410000E-02 1.54398860000E-02 1.58354260000E-02
1.62413440000E-02 1.66579300000E-02 1.70854860000E-02 1.75243220000E-02
1.79747590000E-02 1.84371290000E-02 1.89117750000E-02 1.93990540000E-02
1.98993320000E-02 2.04129910000E-02 2.09404250000E-02 2.14820430000E-02
2.20382680000E-02 2.26095410000E-02 2.31963180000E-02 2.37990720000E-02
2.44182960000E-02 2.50545010000E-02 2.57082170000E-02 2.63800000000E-02
2.70704220000E-02 2.77800850000E-02 2.85096130000E-02 2.92596560000E-02
3.00308930000E-02 3.08240330000E-02 3.16398160000E-02 3.24790150000E-02
3.33424380000E-02 3.42309310000E-02 3.51453780000E-02 3.60867070000E-02
3.70558880000E-02 3.80539410000E-02 3.90819350000E-02 4.01409910000E-02
4.12322880000E-02 4.23570660000E-02 4.35166290000E-02 4.47123480000E-02
4.59456680000E-02 4.72181130000E-02 4.85312860000E-02 4.98868840000E-02
5.12866930000E-02 5.27326030000E-02 5.42266090000E-02 5.57708220000E-02
5.73674750000E-02 5.90189320000E-02 6.07276970000E-02 6.24964210000E-02
6.43279170000E-02 6.62251670000E-02 6.81913350000E-02 7.02297790000E-02
7.23440650000E-02 7.45379810000E-02 7.68155520000E-02 7.91810550000E-02
8.16390380000E-02 8.41943370000E-02 8.68520950000E-02 8.96177840000E-02
9.24972230000E-02 9.54966050000E-02 9.86225170000E-02 1.01881970000E-01
1.05282410000E-01 1.08831780000E-01 1.12538500000E-01 1.16411540000E-01
1.20460420000E-01 1.24695240000E-01 1.29126760000E-01 1.33766360000E-01
1.38626100000E-01 1.43718760000E-01 1.49057870000E-01 1.54657710000E-01
1.60533340000E-01 1.66700630000E-01 1.73176260000E-01 1.79977730000E-01
1.87123340000E-01 1.94632200000E-01 2.02524170000E-01 2.10819810000E-01
2.19540360000E-01 2.28707580000E-01 2.38343650000E-01 2.48471010000E-01
2.59112190000E-01 2.70289490000E-01 2.82024730000E-01 2.94338870000E-01
3.07251560000E-01 3.20780590000E-01 3.34941330000E-01 3.49746000000E-01
3.65202820000E-01 3.81315140000E-01 3.98080380000E-01 4.15488930000E-01
4.33522880000E-01 4.52154770000E-01 4.71346220000E-01 4.91046640000E-01
5.11191920000E-01 5.31703280000E-01 5.52486370000E-01 5.73430610000E-01
5.94409010000E-01 6.15278460000E-01 6.35880710000E-01 6.56043990000E-01
6.75585440000E-01 6.94314310000E-01 7.12035910000E-01 7.28556170000E-01
7.43686670000E-01 7.57249920000E-01 7.69084510000E-01 7.79049940000E-01
7.87030680000E-01 7.92939300000E-01 7.96718260000E-01 7.98340450000E-01
7.97808340000E-01 7.95151860000E-01 7.90425300000E-01 7.83703450000E-01
7.75077490000E-01 7.64650790000E-01 7.52535140000E-01 7.38847510000E-01
7.23707540000E-01 7.07235750000E-01 6.89552470000E-01 6.70777250000E-01
6.51028700000E-01 6.30424480000E-01 6.09081290000E-01 5.87114890000E-01
5.64639820000E-01 5.41769140000E-01 5.18613880000E-01 4.95282480000E-01
4.71880200000E-01 4.48508450000E-01 4.25264220000E-01 4.02239530000E-01
3.79520950000E-01 3.57189230000E-01 3.35318910000E-01 3.13978120000E-01
2.93228340000E-01 2.73124280000E-01 2.53713800000E-01 2.35037910000E-01
2.17130810000E-01 2.00019980000E-01 1.83726340000E-01 1.68264420000E-01
1.53642650000E-01 1.39863610000E-01 1.26924360000E-01 1.14816810000E-01
1.03528080000E-01 9.30409380000E-02 8.33342190000E-02 7.43832600000E-02
6.61603600000E-02 5.86352380000E-02 5.17754810000E-02 4.55469970000E-02
3.99144480000E-02 3.48416730000E-02 3.02920840000E-02 2.62290440000E-02
2.26162130000E-02 1.94178630000E-02 1.65991620000E-02 1.41264210000E-02
1.19673090000E-02 1.00910260000E-02 8.46844450000E-03 7.07221600000E-03
5.87683960000E-03 4.85870340000E-03 3.99609510000E-03 3.26918530000E-03
2.65998840000E-03 2.15230280000E-03 1.73163340000E-03 1.38510180000E-03
1.10134480000E-03 8.70406510000E-04 6.83624800000E-04 5.33517250000E-04
4.13666680000E-04 3.18609520000E-04 2.43728330000E-04 1.85149860000E-04
1.39649710000E-04 1.04564230000E-04 7.77101620000E-05 5.73121980000E-05
4.19383860000E-05 3.04432020000E-05 2.19179120000E-05 1.56477550000E-05
1.10754180000E-05 7.77019510000E-06 5.40222430000E-06 3.72120230000E-06
2.53897790000E-06 1.71547270000E-06 1.14743640000E-06 7.59699600000E-07
4.97761030000E-07 3.22664140000E-07 2.06877630000E-07 1.31156120000E-07
8.21962300000E-08 5.09068850000E-08 3.11481440000E-08 1.88228490000E-08
1.12305060000E-08 6.61354900000E-09 3.84281920000E-09 2.20245570000E-09
1.24476050000E-09 6.93640900000E-10 3.81288630000E-10 2.07276440000E-10
1.12567350000E-10 6.01766890000E-11 3.16536680000E-11 1.63765310000E-11
8.32989760000E-12 4.16380490000E-12 2.04447790000E-12 9.85642350000E-13
4.66336830000E-13 2.16429760000E-13 9.84825630000E-14 4.39146790000E-14
1.91798610000E-14 8.20046180000E-15 3.43047490000E-15 1.40330900000E-15
5.61034340000E-16 2.19083880000E-16 8.35136750000E-17 3.10574480000E-17
1.12606390000E-17 3.97805340000E-18 1.36836720000E-18 4.58000660000E-19
1.49059770000E-19 4.71387010000E-20 1.44744370000E-20 4.31229770000E-21
1.24556590000E-21 3.48525950000E-22 9.43984390000E-23 2.47285050000E-23
6.25989750000E-24 1.53001820000E-24 3.60744890000E-25 8.19751740000E-26
1.79364910000E-26 3.77528480000E-27 7.63646990000E-28 1.48295870000E-28
2.76191740000E-29 4.92808200000E-30 8.41510440000E-31 1.37363790000E-31
2.14102030000E-32 3.18271040000E-33 4.50692620000E-34 6.07207030000E-35
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
*P 1 3.00 Wavefunction
1.33818970000E-08 1.40680020000E-08 1.47892840000E-08 1.55475470000E-08
1.63446870000E-08 1.71826970000E-08 1.80636720000E-08 1.89898170000E-08
1.99634450000E-08 2.09869930000E-08 2.20630190000E-08 2.31942140000E-08
2.43834070000E-08 2.56335710000E-08 2.69478330000E-08 2.83294770000E-08
2.97819610000E-08 3.13089150000E-08 3.29141570000E-08 3.46017020000E-08
3.63757690000E-08 3.82407950000E-08 4.02014430000E-08 4.22626150000E-08
4.44294650000E-08 4.67074130000E-08 4.91021530000E-08 5.16196740000E-08
5.42662720000E-08 5.70485630000E-08 5.99735060000E-08 6.30484130000E-08
6.62809750000E-08 6.96792730000E-08 7.32518060000E-08 7.70075070000E-08
8.09557660000E-08 8.51064570000E-08 8.94699590000E-08 9.40571820000E-08
9.88795980000E-08 1.03949260000E-07 1.09278860000E-07 1.14881700000E-07
1.20771820000E-07 1.26963920000E-07 1.33473500000E-07 1.40316830000E-07
1.47511030000E-07 1.55074080000E-07 1.63024900000E-07 1.71383370000E-07
1.80170380000E-07 1.89407920000E-07 1.99119070000E-07 2.09328130000E-07
2.20060610000E-07 2.31343360000E-07 2.43204590000E-07 2.55673960000E-07
2.68782650000E-07 2.82563430000E-07 2.97050770000E-07 3.12280890000E-07
3.28291880000E-07 3.45123770000E-07 3.62818650000E-07 3.81420760000E-07
4.00976630000E-07 4.21535150000E-07 4.43147720000E-07 4.65868400000E-07
4.89753990000E-07 5.14864230000E-07 5.41261890000E-07 5.69012990000E-07
5.98186920000E-07 6.28856640000E-07 6.61098820000E-07 6.94994100000E-07
7.30627230000E-07 7.68087310000E-07 8.07468010000E-07 8.48867810000E-07
8.92390220000E-07 9.38144070000E-07 9.86243780000E-07 1.03680960000E-06
1.08996800000E-06 1.14585190000E-06 1.20460110000E-06 1.26636230000E-06
1.33129020000E-06 1.39954700000E-06 1.47130330000E-06 1.54673880000E-06
1.62604180000E-06 1.70941090000E-06 1.79705440000E-06 1.88919150000E-06
1.98605250000E-06 2.08787980000E-06 2.19492780000E-06 2.30746440000E-06
2.42577080000E-06 2.55014290000E-06 2.68089180000E-06 2.81834440000E-06
2.96284430000E-06 3.11475290000E-06 3.27445010000E-06 3.44233510000E-06
3.61882790000E-06 3.80436960000E-06 3.99942440000E-06 4.20447990000E-06
4.42004890000E-06 4.64667040000E-06 4.88491110000E-06 5.13536680000E-06
5.39866370000E-06 5.67546020000E-06 5.96644850000E-06 6.27235630000E-06
6.59394840000E-06 6.93202900000E-06 7.28744360000E-06 7.66108090000E-06
8.05387520000E-06 8.46680870000E-06 8.90091400000E-06 9.35727670000E-06
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2.54278298178E-04 1.84828641105E-04 1.33234482565E-04 9.52295430790E-05
6.74765110377E-05 4.73887560944E-05 3.29801982761E-05 2.27403622667E-05
1.55315884195E-05 1.05054336001E-05 7.03548133761E-06 4.66395085329E-06
3.05977212261E-06 1.98604584486E-06 1.27508422131E-06 8.09496364268E-07
5.08023592763E-07 3.15062552753E-07 1.93017205027E-07 1.16811792398E-07
6.98153783056E-08 4.11954864216E-08 2.39905039644E-08 1.37839507966E-08
7.81092469864E-09 4.36386773308E-09 2.40283121545E-09 1.30345411048E-09
6.96342893460E-10 3.66214375609E-10 1.89521421733E-10 9.64746319363E-11
4.82855055809E-11 2.37509772660E-11 1.14766429355E-11 5.44527606571E-12
2.53568185843E-12 1.15833324335E-12 5.18832169611E-13 2.27753434693E-13
9.79363510612E-14 4.12366939324E-14 1.69971003294E-14 6.85962427102E-15
2.71438671413E-15 1.05815038789E-15 4.12049322666E-16 1.56592229777E-16
5.80418213170E-17 2.09693747854E-17 7.37938912960E-18 2.52787474198E-18
8.42351412657E-19 2.72852918691E-19 8.58516604172E-20 2.62200105790E-20
7.76698383997E-21 2.22982234022E-21 6.19927481263E-22 1.66766986177E-22
4.33725129045E-23 1.08963752903E-23 2.64198750441E-24 6.17688150928E-25
1.39122164296E-25 3.01578571127E-26 6.28579123485E-27 1.25846827631E-27
2.41770946629E-28 4.45236576491E-29 7.85120638516E-30 1.32422846346E-30
2.13393182864E-31 3.28160935636E-32 4.81024361937E-33 6.71263435442E-34
8.90683362442E-35 1.12228469637E-35 1.34110568053E-36 1.51781837291E-37
1.62470749556E-38 1.64253960300E-39 1.56607618928E-40 1.40611735905E-41
1.18708230589E-42 9.40833799558E-44 6.98912521591E-45 4.85845439719E-46
3.15506449856E-47 1.91075143640E-48 1.07725372057E-49 5.64367975298E-51
2.74239425053E-52
</PP_RHOATOM>
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